1-(1-methoxy-3-methylcyclohexyl)-3-methylbut-3-en-1-amine

C13H25NO — CID 116767522

IUPAC1-(1-methoxy-3-methylcyclohexyl)-3-methylbut-3-en-1-amine
SMILESC=C(C)CC(N)C1(OC)CCCC(C)C1
InChIInChI=1S/C13H25NO/c1-10(2)8-12(14)13(15-4)7-5-6-11(3)9-13/h11-12H,1,5-9,14H2,2-4H3
InChIKeyLDQMEOSVFFXHJS-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.88
Rot. Bonds4

About 1-(1-methoxy-3-methylcyclohexyl)-3-methylbut-3-en-1-amine

1-(1-methoxy-3-methylcyclohexyl)-3-methylbut-3-en-1-amine (PubChem CID 116767522) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(1-methoxy-3-methylcyclohexyl)-3-methylbut-3-en-1-amine.

Molecular Properties

Compound Name1-(1-methoxy-3-methylcyclohexyl)-3-methylbut-3-en-1-amine
PubChem CID116767522
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(1-methoxy-3-methylcyclohexyl)-3-methylbut-3-en-1-amine
SMILESC=C(C)CC(N)C1(OC)CCCC(C)C1
InChIInChI=1S/C13H25NO/c1-10(2)8-12(14)13(15-4)7-5-6-11(3)9-13/h11-12H,1,5-9,14H2,2-4H3
InChIKeyLDQMEOSVFFXHJS-UHFFFAOYSA-N
XLogP2.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(1-methoxycyclobutyl)-3-methylbut-3-en-1-amine
CID 116713908
1-(1-ethoxy-3-methylcyclohexyl)-3-methylidenepentan-1-amine
CID 116768117
1-(1-methoxy-3-methylcyclohexyl)-N,2-dimethylprop-2-en-1-amine
CID 116767764
[1-(1-methoxy-3-methylcyclohexyl)-3-methylidenepentyl]hydrazine
CID 105277608
2-(3,5-dimethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 116767540
1-(1-methoxy-3-methylcyclohexyl)hex-5-yn-1-amine
CID 116767594
1-(1-methoxy-3-methylcyclohexyl)-2-pyridin-4-ylethanamine
CID 116767493
1-(1-methoxy-3-methylcyclohexyl)-2-methylpropan-1-ol
CID 116754943
1-(1-methoxy-3-methylcyclohexyl)-4-(oxolan-2-yl)butan-1-amine
CID 116767606
1-(1-ethoxy-3-methylcyclohexyl)-2-methoxyethanamine
CID 116768089
1-(1-methoxycyclopentyl)-3-methylbut-3-en-1-ol
CID 104610434
2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 105374421

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-3-methylcyclohexyl)-3-methylbut-3-en-1-amine?
The IUPAC name of 1-(1-methoxy-3-methylcyclohexyl)-3-methylbut-3-en-1-amine (CID 116767522) is 1-(1-methoxy-3-methylcyclohexyl)-3-methylbut-3-en-1-amine.
What is the SMILES notation for 1-(1-methoxy-3-methylcyclohexyl)-3-methylbut-3-en-1-amine?
The canonical SMILES for 1-(1-methoxy-3-methylcyclohexyl)-3-methylbut-3-en-1-amine is C=C(C)CC(N)C1(OC)CCCC(C)C1.
What is the InChIKey of 1-(1-methoxy-3-methylcyclohexyl)-3-methylbut-3-en-1-amine?
The InChIKey is LDQMEOSVFFXHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10(2)8-12(14)13(15-4)7-5-6-11(3)9-13/h11-12H,1,5-9,14H2,2-4H3.
What are the key properties of 1-(1-methoxy-3-methylcyclohexyl)-3-methylbut-3-en-1-amine?
1-(1-methoxy-3-methylcyclohexyl)-3-methylbut-3-en-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-3-methylcyclohexyl)-3-methylbut-3-en-1-amine is sourced from PubChem (CID 116767522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).